2-(3,4-difluorophenyl)-N-[4-(methylaminomethyl)phenyl]acetamide

C16H16F2N2O — CID 106909849

IUPAC2-(3,4-difluorophenyl)-N-[4-(methylaminomethyl)phenyl]acetamide
SMILESCNCc1ccc(NC(=O)Cc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H16F2N2O/c1-19-10-11-2-5-13(6-3-11)20-16(21)9-12-4-7-14(17)15(18)8-12/h2-8,19H,9-10H2,1H3,(H,20,21)
InChIKeyPKYQGXOJTVGROC-UHFFFAOYSA-N
MW290.31 g/mol
LogP2.87
Rot. Bonds5

About 2-(3,4-difluorophenyl)-N-[4-(methylaminomethyl)phenyl]acetamide

2-(3,4-difluorophenyl)-N-[4-(methylaminomethyl)phenyl]acetamide (PubChem CID 106909849) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-[4-(methylaminomethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-[4-(methylaminomethyl)phenyl]acetamide
PubChem CID106909849
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name2-(3,4-difluorophenyl)-N-[4-(methylaminomethyl)phenyl]acetamide
SMILESCNCc1ccc(NC(=O)Cc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H16F2N2O/c1-19-10-11-2-5-13(6-3-11)20-16(21)9-12-4-7-14(17)15(18)8-12/h2-8,19H,9-10H2,1H3,(H,20,21)
InChIKeyPKYQGXOJTVGROC-UHFFFAOYSA-N
XLogP2.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide
CID 114310892
N-[4-(2-bromoethyl)phenyl]-2-(3,4-difluorophenyl)acetamide
CID 114310266
N-(4-amino-3-bromophenyl)-2-(3,4-difluorophenyl)acetamide
CID 82861408
N-(3,4-difluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 43024786
N-[3-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide
CID 114307288
2-(2,5-difluorophenyl)-N-[3-(methylaminomethyl)phenyl]acetamide
CID 84589209
2-[4-[[2-(2-fluorophenyl)acetyl]amino]phenyl]-N-methylacetamide
CID 35364792
2-fluoro-4-hydroxy-N-[4-(methylaminomethyl)phenyl]benzamide
CID 107675639
N-(3,4-difluorophenyl)-2-(6-methyl-3-pyridinyl)acetamide
CID 71940458
N-(4-chlorophenyl)-2-(4-fluorophenyl)acetamide
CID 7027780
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-phenylacetamide
CID 107686457

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-[4-(methylaminomethyl)phenyl]acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-[4-(methylaminomethyl)phenyl]acetamide (CID 106909849) is 2-(3,4-difluorophenyl)-N-[4-(methylaminomethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-[4-(methylaminomethyl)phenyl]acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-[4-(methylaminomethyl)phenyl]acetamide is CNCc1ccc(NC(=O)Cc2ccc(F)c(F)c2)cc1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-[4-(methylaminomethyl)phenyl]acetamide?
The InChIKey is PKYQGXOJTVGROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-19-10-11-2-5-13(6-3-11)20-16(21)9-12-4-7-14(17)15(18)8-12/h2-8,19H,9-10H2,1H3,(H,20,21).
What are the key properties of 2-(3,4-difluorophenyl)-N-[4-(methylaminomethyl)phenyl]acetamide?
2-(3,4-difluorophenyl)-N-[4-(methylaminomethyl)phenyl]acetamide has a molecular weight of 290.31 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-[4-(methylaminomethyl)phenyl]acetamide is sourced from PubChem (CID 106909849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).